SCHEMBL2867770

SCHEMBL2867770

C=C(C)CCCC(OC1CCCCC1)=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
EPHX1 P07099 3/20 0.37
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HTT P42858 2/20 0.33
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9816372 0.81 NAAA (0.63) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL2859456 0.70 NAAA (0.33) NAAAEPHX1CA12CA1CA2
SCHEMBL2863847 0.70 EPHX1 (0.34) NAAAEPHX1
SCHEMBL2863844 0.70 EPHX1 (0.34) NAAAEPHX1
SCHEMBL2860817 0.70 TSHR (0.33)
SCHEMBL9398020 0.69 EPHX1 (0.49) NAAAEPHX1
SCHEMBL4070257 0.69 CA1 (0.44) NAAAEPHX1CA12CA1CA2
SCHEMBL9396625 0.69 EPHX1 (0.56) NAAAEPHX1CA12CA1CA2
SCHEMBL9398167 0.67 EPHX1 (0.46) NAAAEPHX1
SCHEMBL2859462 0.67 ALDH1A1 (0.32) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728180-B2 Method for producing ethers KURARAY CO., LTD. (JP) 2010-06-01 US disclosed
US-20080262272-A1 Method For Producing Ethers KURARAY CO., LTD. (JP) 2008-10-23 US disclosed
CN-1972888-A Method for producing ethers KURARAY CO (JP) 2007-05-30 CN disclosed
EP-1760061-A1 METHOD FOR PRODUCING ETHERS KURARAY CO., LTD. (JP) 2007-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080262272-A1 Method For Producing Ethers TELO2, PDS5A, TERT NAAA 2842/4885EPHX1 580/4885CA12 3726/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.